N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide

C12H19N3O2S — CID 72718788

IUPACN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1nc(C2CC2)cc1C1CC1
InChIInChI=1S/C12H19N3O2S/c1-18(16,17)13-6-7-15-12(10-4-5-10)8-11(14-15)9-2-3-9/h8-10,13H,2-7H2,1H3
InChIKeyXOEADBGQVOCUJM-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.19
Rot. Bonds6

About N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide

N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide (PubChem CID 72718788) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide
PubChem CID72718788
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCn1nc(C2CC2)cc1C1CC1
InChIInChI=1S/C12H19N3O2S/c1-18(16,17)13-6-7-15-12(10-4-5-10)8-11(14-15)9-2-3-9/h8-10,13H,2-7H2,1H3
InChIKeyXOEADBGQVOCUJM-UHFFFAOYSA-N
XLogP1.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide (CID 72718788) is N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCn1nc(C2CC2)cc1C1CC1.
What is the InChIKey of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is XOEADBGQVOCUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-18(16,17)13-6-7-15-12(10-4-5-10)8-11(14-15)9-2-3-9/h8-10,13H,2-7H2,1H3.
What are the key properties of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide?
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 72718788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).